C120H112Cl8O32Si20 — CID 158349107
dichloro-phenyl-[[4,6,8-tris[[dichloro(phenyl)silyl]oxy]-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane;dihydroxy-phenyl-[[4,6,8-tris[[dihydroxy(phenyl)silyl]oxy]-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane;2,4,6,8-tetrahydroxy-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 158349107) has the molecular formula C120H112Cl8O32Si20 and a molecular weight of 2911.53 g/mol. Its IUPAC name is dichloro-phenyl-[[4,6,8-tris[[dichloro(phenyl)silyl]oxy]-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane;dihydroxy-phenyl-[[4,6,8-tris[[dihydroxy(phenyl)silyl]oxy]-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane;2,4,6,8-tetrahydroxy-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
| Compound Name | dichloro-phenyl-[[4,6,8-tris[[dichloro(phenyl)silyl]oxy]-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane;dihydroxy-phenyl-[[4,6,8-tris[[dihydroxy(phenyl)silyl]oxy]-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane;2,4,6,8-tetrahydroxy-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane |
|---|---|
| PubChem CID | 158349107 |
| Molecular Formula | C120H112Cl8O32Si20 |
| Molecular Weight | 2911.53 g/mol |
| Exact Mass | 2904.00 |
| IUPAC Name | dichloro-phenyl-[[4,6,8-tris[[dichloro(phenyl)silyl]oxy]-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane;dihydroxy-phenyl-[[4,6,8-tris[[dihydroxy(phenyl)silyl]oxy]-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]silane;2,4,6,8-tetrahydroxy-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane |
| SMILES | Cl[Si](Cl)(O[Si]1(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O[Si](O[Si](Cl)(Cl)c2ccccc2)(c2ccccc2)O1)c1ccccc1.O[Si](O)(O[Si]1(c2ccccc2)O[Si](O[Si](O)(O)c2ccccc2)(c2ccccc2)O[Si](O[Si](O)(O)c2ccccc2)(c2ccccc2)O[Si](O[Si](O)(O)c2ccccc2)(c2ccccc2)O1)c1ccccc1.O[Si]1(c2ccccc2)O[Si](O)(c2ccccc2)O[Si](O)(c2ccccc2)O[Si](O)(c2ccccc2)O1 |
| InChI | InChI=1S/C48H40Cl8O8Si8.C48H48O16Si8.C24H24O8Si4/c2*49-65(50,41-25-9-1-10-26-41)57-69(45-33-17-5-18-34-45)61-70(46-35-19-6-20-36-46,58-66(51,52)42-27-11-2-12-28-42)63-72(48-39-23-8-24-40-48,60-68(55,56)44-31-15-4-16-32-44)64-71(62-69,47-37-21-7-22-38-47)59-67(53,54)43-29-13-3-14-30-43;25-33(21-13-5-1-6-14-21)29-34(26,22-15-7-2-8-16-22)31-36(28,24-19-11-4-12-20-24)32-35(27,30-33)23-17-9-3-10-18-23/h1-40H;1-40,49-56H;1-20,25-28H |
| InChIKey | GSCDZYQFCVNIFK-UHFFFAOYSA-N |
| XLogP | 7.07 |
| TPSA | 427.36 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2911.53 |
| LogP ≤ 5 | 7.07 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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